Molecule

ID:111650

General Information
Structure
MolImage
Molecular Formula
C₃₀H₅₀O
Molecular Mass
426.7174
Exact Mass
426.38616622
Charge
0
InChI
InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1
InChIKey
FSLPMRQHCOLESF-SFMCKYFRSA-N
Canonic Smiles
C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C
Isomeric Smiles
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]3[C@@]4(CC[C@@H](C3(C)C)O)C)C)[C@@H]2[C@H]1C)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
7.39
LogD (pH = 5.5)
7.39
Log P
7.39
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-0.84
Polar Surface Area
20.23
Polarizability
53.76
Molar Refractivity
131.98
LOG S
-9.04
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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